General Information of the Compound
| Compound ID |
CP0961116
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| Compound Name |
4-cyano-N-(2-{7-[2-(3-fluorophenyl)ethyl]-9-oxa-3,7-diazabicyclo-[3.3.1]non-3-yl}ethyl)benzenesulfonamide
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| Structure |
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| Formula |
C23H27FN4O3S
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| Molecular Weight |
458.559
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| Canonical SMILES |
N#Cc1ccc(S(=O)(=O)NCCN2CC3CN(CCc4cccc(F)c4)CC(C2)O3)cc1
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| InChI |
InChI=1S/C23H27FN4O3S/c24-20-3-1-2-18(12-20)8-10-27-14-21-16-28(17-22(15-27)31-21)11-9-26-32(29,30)23-6-4-19(13-25)5-7-23/h1-7,12,21-22,26H,8-11,14-17H2
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| InChIKey |
DVMDLGXZHJAZJC-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound